List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
47752 10535101 3 OC3H4 AB3C4 -110.36 2.04 -9.62 -0.42 0
47753 10535113 2 OC5H8 AB5C8 -101.37 5.14 -10.59 -0.33 0
47754 10535115 2 OC5H8 AB5C8 -106.93 5.13 -9.54 0.3 0
47755 10535140 1 NO2C9H15 AB2C9D15 -88.08 2.7 -9.68 0.69 0
47756 10535149 2 O2C4H5 A2B4C5 -145.86 2.62 -10.78 0.44 0
47757 10535150 1 O3C9H14 A3B9C14 -127.89 4.0 -10.22 0.71 0
47758 10535151 1 O3C9H14 A3B9C14 -125.96 2.97 -10.1 0.21 0
47759 10535176 1 ClOF2C6H9 ABC2D6E9 -157.59 2.21 -10.19 -0.26 0
47760 10535177 1 NO4C7H9 AB4C7D9 -137.53 5.09 -9.93 -0.28 0
47761 10535178 1 FNO2C8H10 ABC2D8E10 -95.8 0.61 -8.26 -0.18 0
47762 10535182 1 NO3C8H13 AB3C8D13 -123.96 1.48 -10.09 0.37 0
47763 10535183 1 NO2C9H17 AB2C9D17 -106.04 2.59 -9.01 1.9 0
47764 10535184 1 NO2C9H17 AB2C9D17 -114.74 5.45 -9.98 0.84 0
47765 10535186 1 NO2C9H17 AB2C9D17 -101.0 1.11 -9.31 0.66 0
47766 10535187 1 NC12H13 AB12C13 109.18 1.09 -6.18 -1.95 0
47767 10535188 1 NC12H13 AB12C13 74.75 1.59 -8.85 0.38 0
47768 10535189 1 NOC10H21 ABC10D21 -81.02 2.72 -9.63 0.7 0
47769 10535190 1 ClNOC8H10 ABCD8E10 -31.9 2.21 -9.27 -0.35 0
47770 10535191 1 ClNC9H12 ABC9D12 -1.82 3.57 -9.27 0.05 0
47771 10535193 2 NO2C3H4 AB2C3D4 -80.49 3.7 -9.98 -0.95 0
47772 10535194 4 OC2H3 AB2C3 -171.89 2.37 -9.13 0.35 0
47773 10535195 1 O2H8C11 A2B8C11 -3.2 4.82 -8.78 -1.35 0
47774 10535196 1 ON2H8C10 AB2C8D10 47.82 3.54 -9.14 -0.94 0
47775 10535208 2 OC5H10 AB5C10 -108.04 1.24 -9.97 1.14 0
47776 10535209 2 OC5H10 AB5C10 -137.09 2.09 -10.05 2.71 0
47777 10535228 2 O2C4H7 A2B4C7 -178.35 2.67 -10.1 0.32 0
47778 10535234 3 OC3H6 AB3C6 -136.18 4.55 -10.07 1.43 0
47779 10535235 1 OC12H14 AB12C14 14.29 2.11 -9.6 0.14 0
47780 10535236 1 OC12H14 AB12C14 -1.94 3.01 -9.61 0.01 0
47781 10535245 1 C13H18 A13B18 5.14 0.92 -9.18 0.41 0
47783 10535262 2 O2C4H7 A2B4C7 -201.55 1.05 -10.97 0.72 0
47784 10535264 1 N2O2H8C9 A2B2C8D9 20.45 3.35 -9.72 -1.18 0
47785 10535271 1 O2C11H12 A2B11C12 -29.15 3.06 -9.7 0.04 0
47786 10535281 1 OC12H16 AB12C16 -44.64 1.27 -9.24 0.31 0
47787 10535282 1 OC12H16 AB12C16 -24.44 1.87 -9.46 0.3 0
47788 10535283 1 OC12H16 AB12C16 28.82 3.43 -9.86 -0.22 0
47789 10535289 1 C13H20 A13B20 -18.49 0.73 -9.04 0.61 0
47790 10535294 1 NO2C10H11 AB2C10D11 -48.76 1.14 -8.3 -0.19 0
47791 10535338 1 ON5C7H9 AB5C7D9 62.68 3.29 -9.66 -1.66 0
47792 10535341 1 NO2C10H13 AB2C10D13 -81.95 3.7 -8.75 0.25 0
47793 10535356 1 NSC10H13 ABC10D13 61.46 4.6 -9.32 -0.51 0
47794 10535358 1 ClNO2C7H14 ABC2D7E14 -136.46 2.26 -10.02 1.44 0
47795 10535359 1 NO2C7H13 AB2C7D13 -99.23 4.28 -9.4 2.17 0
47796 10535360 1 ClNO2C7H14 ABC2D7E14 -143.1 3.02 -10.25 0.14 0
47797 10535367 1 ON2C10H12 AB2C10D12 1.69 3.5 -9.07 -0.26 0
47798 10535369 1 O3C10H12 A3B10C12 -102.85 2.26 -10.33 -2.0 0
47799 10535382 1 O2C11H16 A2B11C16 -45.35 4.78 -10.03 0.66 0
47800 10535393 1 FNO3H4C8 ABC3D4E8 -137.01 6.13 -9.99 -1.62 0
47801 10535405 1 NOSC9H11 ABCD9E11 -6.69 3.71 -9.37 -0.78 0
47802 10535406 1 NOSC9H11 ABCD9E11 -24.11 1.79 -9.26 -0.21 0
47804 10535417 1 O4C9H10 A4B9C10 -77.0 3.5 -10.46 -0.05 0
47805 10535425 1 O3C10H14 A3B10C14 -147.73 5.95 -10.96 -0.16 0
47806 10535426 1 O3C10H14 A3B10C14 -108.2 5.44 -10.48 0.6 0
47807 10535435 1 O2C11H18 A2B11C18 -77.98 4.72 -10.79 0.62 0
47808 10535436 1 O2C11H18 A2B11C18 -115.53 3.03 -9.54 0.9 0
47809 10535439 1 O2C11H18 A2B11C18 -64.46 1.09 -9.82 0.33 0
47810 10535440 1 O2C11H18 A2B11C18 -66.32 1.19 -9.74 0.36 0
47811 10535443 1 O2C11H18 A2B11C18 -79.6 1.09 -9.73 1.75 0
47813 10535449 1 OC12H22 AB12C22 -56.72 0.9 -8.86 1.38 0
47814 10535458 1 NO4C8H9 AB4C8D9 -125.4 3.55 -9.68 -0.18 0
47815 10535460 1 NO3C9H13 AB3C9D13 -103.76 3.73 -10.45 -0.45 0
47817 10535469 1 N5C8H17 A5B8C17 41.46 3.89 -8.73 0.85 0
47818 10535471 1 NOC11H21 ABC11D21 -75.12 3.15 -8.62 2.61 0
47819 10535472 1 NOC11H21 ABC11D21 -61.51 1.39 -9.62 1.3 0
47820 10535473 1 PC4O6H9 AB4C6D9 -315.01 3.99 -10.87 0.41 0
47821 10535474 1 O3N4C6H6 A3B4C6D6 -67.54 0.02 -10.69 -1.48 0
47822 10535481 1 SO3C8H8 AB3C8D8 -86.42 1.82 -9.48 -0.7 0
47823 10535491 1 N2O2C9H16 A2B2C9D16 -61.48 3.45 -8.9 0.56 0
47824 10535499 1 O2C11H20 A2B11C20 -124.73 5.51 -10.48 0.95 0
47825 10535500 1 O2C11H20 A2B11C20 -110.19 4.29 -10.22 -0.32 0
47826 10535502 1 O2C11H20 A2B11C20 -131.15 1.93 -10.67 0.88 0
47827 10535503 1 O2C11H20 A2B11C20 -133.35 1.16 -9.86 2.68 0
47828 10535504 2 C7H8 A7B8 30.02 1.18 -8.94 0.01 0
47829 10535505 1 ON2C10H20 AB2C10D20 -61.1 2.43 -8.82 2.55 0
47830 10535515 1 ClOC10H13 ABC10D13 -48.3 2.09 -9.7 0.05 0